4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine

C15H25NOS — CID 103031371

IUPAC4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H25NOS/c1-15(2,17-3)9-8-12(16)14-10-11-6-4-5-7-13(11)18-14/h10,12H,4-9,16H2,1-3H3
InChIKeyIXOCUNCIZYNQQH-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.83
Rot. Bonds5

About 4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine

4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine (PubChem CID 103031371) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
PubChem CID103031371
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H25NOS/c1-15(2,17-3)9-8-12(16)14-10-11-6-4-5-7-13(11)18-14/h10,12H,4-9,16H2,1-3H3
InChIKeyIXOCUNCIZYNQQH-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026377
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine
CID 104987233
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine
CID 104986647
methyl 2-amino-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetate
CID 22492045
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-en-1-amine
CID 105003788
2-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 104986291
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine
CID 105033706
2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 61078811
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030438
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine
CID 115846126
[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4-dimethylpentyl]hydrazine
CID 105299986
2-(3,4-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 63527268

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine (CID 103031371) is 4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine is COC(C)(C)CCC(N)c1cc2c(s1)CCCC2.
What is the InChIKey of 4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
The InChIKey is IXOCUNCIZYNQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-15(2,17-3)9-8-12(16)14-10-11-6-4-5-7-13(11)18-14/h10,12H,4-9,16H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine is sourced from PubChem (CID 103031371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).